R162 - ≥98% , CAS No.64302-87-0

CAS: 64302-87-0 Cat. No.: R304260 Fórmula: C₁₇H₁₂O₃ Peso molecular: 264.28 PubChem CID: 4412951

GRAU & PUREZA ≥98%

Synonyms

1-Hydroxy-2-(2-propen-1-yl)-9,10-anthracenedione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

1-Hydroxy-2-(2-propen-1-yl)-9,10-anthracenedione

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Glutamate dehydrogenase (GHD1) inhibitor (IC50= 23 μM). Decreases fumarate and ROS levels, attenuates glutathione peroxidase levels and inhibits cell proliferation in cancer cell lines. Attenuates viability of a range of cancer cell lines.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504763010

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763010

Sorrisos canónicos

C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O

IUPAC Name

1-hydroxy-2-prop-2-enylanthracene-9,10-dione

InChIKey

IMUBGIOLZQTIGI-UHFFFAOYSA-N

INCHI

1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2

SMILES isoméricas

C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O

PubChem CID

4412951

Número UN

3077

Grupo de embalagem

III

Peso molecular

264.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: hydroxyanthraquinones

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 13.21, Max Conc. mM: 50
• Peso molecular: 264.270 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 264.079 Da
• Monoisotopic Mass: 264.079 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 428.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 64302-87-0, the molecular formula is C17H12O3, and the molecular weight is 264.28 g/mol. InChIKey IMUBGIOLZQTIGI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.